N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide

C32H29F2N5O4 — CID 11949282

About N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide

N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide (PubChem CID 11949282) has the molecular formula C32H29F2N5O4 and a molecular weight of 585.61 g/mol. Its IUPAC name is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide
• PubChem CID: 11949282
• Molecular Formula: C32H29F2N5O4
• Molecular Weight: 585.61 g/mol
• Exact Mass: 585.22
• IUPAC Name: N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(CC(=O)Nc2ccc(C)c(-c3nc(NC(CO)CO)nc4c3ccc(=O)n4-c3c(F)cccc3F)c2)c1
• InChI: InChI=1S/C32H29F2N5O4/c1-18-5-3-6-20(13-18)14-27(42)35-21-10-9-19(2)24(15-21)29-23-11-12-28(43)39(30-25(33)7-4-8-26(30)34)31(23)38-32(37-29)36-22(16-40)17-41/h3-13,15,22,40-41H,14,16-17H2,1-2H3,(H,35,42)(H,36,37,38)
• InChIKey: KEELZSBPRKYGAA-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 129.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.61
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide?

The IUPAC name of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide (CID 11949282) is N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide.

What is the SMILES notation for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide?

The canonical SMILES for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(C)c(-c3nc(NC(CO)CO)nc4c3ccc(=O)n4-c3c(F)cccc3F)c2)c1.

What is the InChIKey of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide?

The InChIKey is KEELZSBPRKYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N5O4/c1-18-5-3-6-20(13-18)14-27(42)35-21-10-9-19(2)24(15-21)29-23-11-12-28(43)39(30-25(33)7-4-8-26(30)34)31(23)38-32(37-29)36-22(16-40)17-41/h3-13,15,22,40-41H,14,16-17H2,1-2H3,(H,35,42)(H,36,37,38).

What are the key properties of N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide?

N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 585.61 g/mol, XLogP of 4.29, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 11949282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).